Compound Detail
CHEMBL5772924
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Basic Information
| ChEMBL ID | CHEMBL5772924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXLAOXPSVTUHAP-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
4.66
ALogP
6
HBA
1
HBD
81.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.0 | 8.21 | 1.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | CDK9/CycT1 High ATP Kinase Assay: Recombinant full-length His-tagged human CDK9 ... | - |
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | CDK9/CycT1 kinase assay: Recombinant full-length His-tagged human CDK9 and CycT1... | - |
| Unchecked | IC50 | = | 7.0 | nM | 8.15 | CDK2/CycE Kinase Assay: Recombinant fusion proteins of GST and human CDK2 and of... | - |
| Unchecked | IC50 | = | 103.0 | nM | 6.99 | CDK2/CycE High ATP Kinase Assay: Recombinant fusion proteins of GST and human CD... | - |
Data from ChEMBL 36 via Core Engine